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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C (PKC)' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition Protein kinase C (PKC)


J Med Chem 45: 3772-93 (2002)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50282632
PNG
(3-((3aR,10aR)-2-Methyl-2,3,3a,4,10,10a-hexahydro-1...)
Show SMILES CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c4ccccc4n3C[C@H]2C1
Show InChI InChI=1S/C28H26N4O2/c1-30-12-16-11-23-24(19-8-4-6-10-22(19)32(23)14-17(16)13-30)26-25(27(33)29-28(26)34)20-15-31(2)21-9-5-3-7-18(20)21/h3-10,15-17H,11-14H2,1-2H3,(H,29,33,34)/t16-,17+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50282633
PNG
((S)-3-(8-((dimethylamino)methyl)-6,7,8,9-tetrahydr...)
Show SMILES CN(C)C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21
Show InChI InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PKC kinase


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50186460
PNG
(CHEMBL209148 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PKC


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50175196
PNG
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
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n/an/a>2.50E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against PKC


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C (PKC)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-$b-carboline;hydrochloride |...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 12: 1129-32 (2002)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50111433
PNG
(1-(2-Chloro-5-nitro-phenyl)-9H-beta-carboline | CH...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21
Show InChI InChI=1S/C17H10ClN3O2/c18-14-6-5-10(21(22)23)9-13(14)16-17-12(7-8-19-16)11-3-1-2-4-15(11)20-17/h1-9,20H
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 12: 1129-32 (2002)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50111434
PNG
(1-(5-Methyl-1H-imidazol-4-yl)-9H-beta-carboline | ...)
Show SMILES Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12
Show InChI InChI=1S/C15H12N4/c1-9-13(18-8-17-9)15-14-11(6-7-16-15)10-4-2-3-5-12(10)19-14/h2-8,16H,1H3,(H,17,18)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 12: 1129-32 (2002)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50111435
PNG
(7-Fluoro-1-methyl-9H-beta-carboline | CHEMBL14445)
Show SMILES Cc1nccc2c3ccc(F)cc3[nH]c12
Show InChI InChI=1S/C12H9FN2/c1-7-12-10(4-5-14-7)9-3-2-8(13)6-11(9)15-12/h2-6,15H,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 12: 1129-32 (2002)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Citation and Details
More data for this
Ligand-Target Pair